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The behavior of a polyelectrolyte adsorbed on a charged substrate of high-dielectric constant is studied by both Monte-Carlo simulation and analytical methods. It is found that in a low enough ionic strength medium, the adsorption…

Soft Condensed Matter · Physics 2007-05-23 Chi-Ho Cheng , Pik-Yin Lai

This paper reports the force spectroscopy analysis of a polymer that translocates from one side of a membrane to the other side through an extended pore, pulled by a cantilever that moves with constant velocity against the damping and the…

Soft Condensed Matter · Physics 2018-12-12 Alessandro Fiasconaro , Fernando Falo

We study pressurised self-avoiding ring polymers in two dimensions using Monte Carlo simulations, scaling arguments and Flory-type theories, through models which generalise the model of Leibler, Singh and Fisher [Phys. Rev. Lett. Vol. 59,…

Statistical Mechanics · Physics 2011-05-12 Mithun K. Mitra , Gautam I. Menon , R. Rajesh

Conformations of partially or fully adsorbed semiflexible polymer chains are studied varying both contour length $L$, chain stiffness, $\kappa$, and the strength of the adsorption potential over a wide range. Molecular Dynamics simulations…

Soft Condensed Matter · Physics 2019-10-02 Andrey Milchev , Kurt Binder

This article studies the fundamental problem of separating two adhesive elastic fibers based on numerical simulation employing a recently developed finite element model for molecular interactions between curved slender fibers. Specifically,…

Computational Engineering, Finance, and Science · Computer Science 2019-08-01 Maximilian J. Grill , Christoph Meier , Wolfgang A. Wall

We consider various lattice models of polymers: lattice trees, lattice animals, and self-avoiding walks. The polymer interacts with a surface (hyperplane), receiving a unit energy reward for each site in the surface. There is an adsorption…

Mathematical Physics · Physics 2017-02-01 Neal Madras

Structure and dynamics of an active polymer on a smooth cylindrical surface are studied by Brownian dynamics simulations. The effect of active force on the polymer adsorption behavior and the combined effect of chain mobility, length N,…

Soft Condensed Matter · Physics 2024-08-21 Chen Shen , Chao-ran Qin , Tian-liang Xu , Kang Chen , Wen-de Tian

The thermally assisted detachment of a self-avoiding polymer chain from an adhesive surface by an external force applied to one of the chain ends is investigated. We perform our study in the "fixed height" statistical ensemble where one…

Soft Condensed Matter · Physics 2009-08-13 S. Bhattacharya , A. Milchev , V. G. Rostiashvili , T. A. Vilgis

The present paper is dedicated to the 2-dimensional Interacting Partially Directed Self Avoiding Walk constrained to remain in the upper-half plan and interacting with the horizontal axis. The model has been introduced in \cite{F90} to…

Probability · Mathematics 2020-09-22 Alexandre Legrand , Nicolas Pétrélis

Recently it has been shown that a two-dimensional model of self-attracting polymers based on attracting segments displays two phase transitions, a theta-like collapse between swollen polymers and a globular state and another between the…

Soft Condensed Matter · Physics 2008-07-10 J. Krawczyk , A. L. Owczarek , T. Prellberg

To study the cooling behavior and the glass transition of polymer melts in bulk and with free surfaces a coarse-grained weakly semi-flexible polymer model is developed. Based on a standard bead spring model with purely repulsive…

Soft Condensed Matter · Physics 2019-09-09 Hsiao-Ping Hsu , Kurt Kremer

Taking into account the well known correspondence between the field theoretical O(n)-vector model in the limit $n\to 0$ and the behavior of long-flexible polymer chains in a good solvent the investigation of ideal polymer chains adsorption…

Soft Condensed Matter · Physics 2012-09-25 Zoryana Usatenko

In detailed microcanonical analyses of densities of states obtained by extensive multicanonical Monte Carlo computer simulations, we investigate the caloric properties of conformational transitions adsorbing polymers experience near…

Statistical Mechanics · Physics 2019-03-27 Monika Möddel , Wolfhard Janke , Michael Bachmann

The microscopic model of semi-crystalline polymer in high-elastic state is proposed. The model is based on the assumption that, below the melting temperature, the semi-crystalline polymer comprises crystal nuclei connected by stretched…

Soft Condensed Matter · Physics 2013-06-20 V. V. Atrazhev , S. F. Burlatsky , D. V. Dmitriev , V. I. Sultanov

We have developed a theory of polymer entanglement using an extended Cahn-Hilliard functional, with two extra terms. One is a nonlocal attractive term, operating over mesoscales, which is interpreted as giving rise to entanglement, and the…

Soft Condensed Matter · Physics 2008-11-26 Shirish M. Chitanvis

Prudent walks are self-avoiding walks which cannot step towards an already occupied vertex. We introduce a new model of adsorbing prudent walks on the square lattice, which start on an impenetrable surface and accrue a fugacity $a$ with…

Mathematical Physics · Physics 2021-12-20 Nicholas R. Beaton , Gerasim K. Iliev

We investigate a reversible polymerization process in which individual polymers aggregate and fragment at a rate proportional to their molecular weight. We find a nonequilibrium phase transition despite the fact that the dynamics are…

Statistical Mechanics · Physics 2008-06-24 E. Ben-Naim , P. L. Krapivsky

We study the model of a partially directed flexible or semi-flexible homopolymer on a square lattice, subject to an externally applied force, in a direction either parallel to, or perpendicular to the preferred direction. The polymer is…

Statistical Mechanics · Physics 2015-05-19 Pui-Man Lam , Yi Zhen

We consider self-avoiding walks terminally attached to a surface at which they can adsorb. A force is applied, normal to the surface, to desorb the walk and we investigate how the behaviour depends on the vertex of the walk at which the…

Statistical Mechanics · Physics 2019-08-01 C J Bradly , EJ Janse van Rensburg , A L Owczarek , S G Whittington

We consider a self-avoiding walk on the $d$-dimensional hypercubic lattice, terminally attached to an impenetrable hyperplane at which it can adsorb. When a force is applied the walk can be pulled off the surface and we consider the…

Statistical Mechanics · Physics 2017-02-01 EJ Janse van Rensburg , SG Whittington